SCHEMBL18323675

SCHEMBL18323675

COCc1cc(C(N)=O)cc2nnc(C)n12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
PARP10 Q53GL7 1/20 0.31
MET P08581 1/20 0.31
APOBEC3A P31941 1/20 0.31
HTT P42858 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NNMT P40261 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
BPTF Q12830 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18323577 0.87 KDM4E (0.36) BRD4KDM4EKMT2A
SCHEMBL18323608 0.86 CA12 (0.40) BRD4KDM4ELMNAKMT2A
SCHEMBL18323691 0.84 MET (0.34) LMNATSHRMETHTTNCOA1
SCHEMBL15907107 0.83 MEN1 (0.32) KMT2ATSHR
SCHEMBL18323672 0.82 BRD4 (0.40) BRD4KDM4ELMNAKMT2ATSHR
SCHEMBL18323626 0.80 BRD4 (0.38) BRD4KDM4ELMNAKMT2ATSHR
SCHEMBL18323620 0.78 BRD4 (0.39) BRD4KDM4ELMNAKMT2ATSHR
SCHEMBL18323632 0.77 KDM4E (0.55) BRD4KDM4E
SCHEMBL18323618 0.77 KDM4E (0.55) BRD4KDM4ELMNAKMT2ATSHR
SCHEMBL18323621 0.75 TSHR (0.44) BRD4KDM4ELMNAKMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed